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formation of microstructure
K.C. Le
Lehrstuhl f
ur Mechanik - Materialtheorie
Ruhr-Universit
at Bochum, 44780 Bochum, Germany
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Outline of my lecture
Size effects in crystal plasticity and formation of microstructure
Why continuum dislocation theory?
Thermodynamic framework of CDT
Antiplane constrained shear
Plane constrained shear
Double slip systems
Mechanism of twin formation
Continuum model of deformation twinning
Bending
Polygonization
Conclusion
Further works
K.C. Le (Mechanik - Materialtheorie)
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3 / 78
Hall-Petch relation
Y Y 0 +
d
K.C. Le (Mechanik - Materialtheorie)
4 / 78
Indentation test
H=
K.C. Le (Mechanik - Materialtheorie)
F
A
(Hardness)
5 / 78
Twin formation
Polygonization
7 / 78
9 / 78
Related literature
Continuum dislocation theory: Kondo,1952; Nye,1953; Bilby et
al.,1955; Kroner,1955,1958; Berdichevsky & Sedov,1967; Le &
Stumpf,1996a,b,c; Ortiz & Repetto,1999; Ortiz et al.,2000;
Acharya,2001; Svendsen,2002; Gurtin,2002,2004; Berdichevsky,2006;
Berdichevsky & Le,2007; Le & Sembiring,2008a,b,2009; Kochmann &
Le,2008,2009a,b; Le &Nguyen,2010,2011; Le & Nguyen,2012.
Strain gradient plasticity: Fleck et al.,1994; Shu & Fleck,1999; Gao et
al.,1999; Acharya & Bassani,2000; Huang et al.,2000,2004; Fleck &
Hutchinson,2001; Han et al.,2005; Aifantis & Willis,2005.
Statistical mechanics of dislocations: Le & Berdichevsky,2001,2002;
Groma et al.,2003,2005; Berdichevsky,2005,2006.
Discrete dislocation simulations: Needleman & Van der Giessen,2001;
Shu et al.,2001; Yefimov et al.,2004.
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e =e +e
m
s
e
11 / 78
Dislocation density
da
11
12
Bi =ijnjda
10
13
7
6
9
8
14
11 10
12
a)
13
14
4
b)
12 / 78
Energetics
State variables: elastic strain eij and dislocation density ij (plastic strain
and its gradient are history dependent and are not the state variables)
Free energy density (Kroner)
(ij pij , ij ) = 0 (ij pij ) + m (ij )
Elastic energy of the crystal lattice
1
0 (eij ) = Cijkl eij ekl
2
Energy of microstructure (single slip system, Berdichevsky, 2006)
m (ij ) = k ln
1
1 /s
1 2
m (ij ) ' k
+
s
2 2s
K.C. Le (Mechanik - Materialtheorie)
13 / 78
ij
ij
xk ij,k
ij
Note that, if the dissipation potential D = D( ij ) is a homogeneous
function of first order (rate-independent theory), the variational equation
reduces to the minimization of relaxed energy.
K.C. Le (Mechanik - Materialtheorie)
14 / 78
x
L
a
z
15 / 78
16 / 78
Energy minimization
If the resistance to dislocation motion is negligible, the true plastic
distortion minimizes the total energy
#
Z a"
2
,x
|,x |
1
2
( ) + k(
+ 2 2 ) dx
I [(x)] = hL
2
s b
s b
0
Introducing the dimensionless quantities
x = xbs ,
a = abs ,
E=
bs
I
hL
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Energetic threshold
a- a
1
E = ( 0 )2 a + 2k|0 |
2
Minimization of this function shows that there exists the threshold value
en =
2k
abs
Size effect (typical to all gradient theories): the threshold value is inversely
proportional to the size a of the specimen.
K.C. Le (Mechanik - Materialtheorie)
18 / 78
Minimizer
Ansatz (based on the feature of dislocation pile-up)
1 (a x) for x (a l, a),
Functional
Z l
E =2
0
1 02
1
1
2
0
( 1 ) + k 1 + 1
dx + ( m )2 (a 2l).
2
2
2
1 (l) = m .
19 / 78
Varying this energy functional with respect to 1 (x) we obtain the Euler
equation for 1 (x) on the interval (0, l)
1 + k100 = 0.
The variation of energy functional with respect to m and l yields the two
additional boundary conditions at x = l
10 (l) = 0,
2k = ( m )(a 2l).
Solution
l
x
x
1 (x) = (cosh tanh sinh ),
k
k
k
0 x l.
k
K.C. Le (Mechanik - Materialtheorie)
20 / 78
0.008
0.006
0.004
0.002
a
0.05
0.10
0.15
0.20
0.25
0.30
0.35
21 / 78
/
0.0008
B
A
0.0006
0.0004
0.0002
0.001
0.002
0.003
0.004
0.005
22 / 78
Non-zero dissipation
For the case with dissipation ( > 0) we have to solve the evolution
equation
+ k,xx = c ,
(0) = (a) = 0,
23 / 78
Loading program
g
g*
-gc
Loading path
K.C. Le (Mechanik - Materialtheorie)
24 / 78
B
A
0.0004
0.0002
O
-0.0005
0.0005
0.0010
0.0015
0.0020
0.0025
0.0030
-0.0002
C
D
-0.0004
25 / 78
y
h
L
a
v =0
at y = 0, h
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m = ( sin , cos , 0)
27 / 78
Strain measures
Total strain
xx = 0,
1
xy = u,y ,
2
yy = v,y
Plastic strains
1
pxx = sin 2,
2
1
pxy = cos 2,
2
1
pyy = sin 2
2
Elastic strain
1
1
exx = sin 2, exy = (u,y cos 2),
2
2
1
eyy = v,y sin 2
2
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da
Bi =ijnjda
yz = ,y sin2
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Energy density
30 / 78
Energy functional
Z h
1
1
1 2
v,y + (u,y cos 2)2 + 2 sin2 2
2
2
4
0
1
1
+ (v,y sin 2)2 + k ln
dy
| || sin |
2
1 ,y
E = aL
bs
31 / 78
where hi =
1
h
Rh
0
(y ) dy
32 / 78
Energy minimization
If the resistance to dislocation motion is negligible, the true plastic
distortion minimizes the total energy
33 / 78
Energetic threshold
en =
2k | sin |
hbs | cos 2|
34 / 78
Material parameter
Material
Aluminum
(GPa)
26.3
0.33
b (
A)
2.5
s (m2 )
1.834 103
k
0.000156
In all simulations h = 1m
35 / 78
c
b
0.0075
0.005
0.0025
-0.0025
-0.005
-0.0075
0.1
0.2
d
e
f
=30
=60
0.3
0.4
y-
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B
B
0.008
0.006
0.004
0.002
=30
=60
A
0.002
0.004
0.006
0.008
0.01
37 / 78
Non-zero dissipation
Non-zero resistance to dislocation motion: energy minimization is replaced
by the flow rule
D
=
for 6= 0, where
D = K ||
=
+
y ,y
38 / 78
Yield condition
Differential equation
|k
,yy sin2
(1 ) sin2 2
b 2 2s
(cos2 2 + sin2 2)hi + cos 2| = K / = cr cos 2
Boundary conditions
(0) = (h) = 0
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(y ) = r 1 (y ),
where
r = cr
j=30
j=60
b1
Graphs of 1 (
y)
K.C. Le (Mechanik - Materialtheorie)
40 / 78
Dislocation density
(y ) = r 1 (y )
a1
j=30
j=60
Graphs of 1 (
y)
K.C. Le (Mechanik - Materialtheorie)
41 / 78
2
= cr + r 1 1
1p cos 2
h
where 1p is calculated from the solution. The second term of this
equation causes the hardening due to the dislocations pile-up and
describes the size effect in this model.
42 / 78
Comparison
h/d=1.15
h/d=2.3
h/d=80
with dissipation
energy minimization
43 / 78
Comparison
u,y
h/d=2.3
h/d=80
energy minimization
with dissipation
y/h
44 / 78
Loading program
Ct
O
B
Loading path
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Bauschinger effect
B
0.008
0.006
0.004
0.002
-0.002
D-0.002
A
0.002 0.004 0.006 0.008
0.01
46 / 78
gh
y
h
s
m
jl
jr
47 / 78
Strain measures
Total strain
xx = 0,
1
xy = u,y ,
2
yy = v,y
Plastic strains
1
pxx = (l sin 2l + r sin 2r ),
2
1
pxy = (l cos 2l + r cos 2r ),
2
1
p
yy = (l sin 2l + r sin 2r )
2
Elastic strain
1
exx = (l sin 2l + r sin 2r ),
2
1
e
xy = (u,y l cos 2l r cos 2r ),
2
1
eyy = v,y (l sin 2l + r sin 2r )
2
K.C. Le (Mechanik - Materialtheorie)
48 / 78
49 / 78
Energetic threshold
en =
2k | sin |
hbs | cos 2|
50 / 78
Comparison
t/t0
h/d=40
h/d=80
h/d=160
h/d=240
with dissipation
energy minimization
g
Shear stress vs. shear strain curve
K.C. Le (Mechanik - Materialtheorie)
51 / 78
Comparison
u,y
h/d=80
energy minimization
with dissipation
g=0.0218
g=0.0168
g=0.0118
g=0.0068
y
_
h
52 / 78
rotation
shear
b
t
g
TT
TT
TT
TT
TT
TT
j
u
j
l
hs
h(1-s)
x
53 / 78
54 / 78
Plastic strains
The in-plane components of the plastic strain tensor pij = 21 (ij + ji ) read
1
1
pxx = sin 2 T sin 2l ,
2
2
1
1
pxy = cos 2 + T cos 2l ,
2
2
1
1
p
yy = sin 2 + T sin 2l ,
2
2
with the following quantities defined in the upper and lower part of the
crystal:
(
[u (y ), u , t ] h(1 s) < y < h,
[(y ), , T ] =
[l (y ), l , 0]
0 < y < h(1 s).
55 / 78
Dislocation density
da
Bi =ijnjda
yz = ,y sin2
56 / 78
Energy density
57 / 78
Energy functional
Z h
E (u, v , , s) = aL
0
2
1
2 v,y
+ 14 ( sin 2 + T sin 2l )2
58 / 78
Condensed energy
E cond
E cond
0.0005
s = 0.1
s = 0.2
0.0004
s=0
0.0003
s = 0.4
s = 0.3 s = 0.5
s=1
0.0002
0.00001
s = 0.6
810-6
s = 0.7
610-6
s = 0.8
s = 0.9
0.0001
0.000012
410-6
-6
210
0.05
0.1
0.15
0.2
0.25
s=0
0.002
0.004
0.006
0.008
0.01
59 / 78
0.0003
0.00025
0.8
0.0002
0.6
0.00015
0.4
0.0001
0.2
0.00005
0.05
b
lp
0.05
0.1
0.1
0.15
0.15
0.2
0.2
0.25
0.25
0.3
0.05
0.1
0.15
0.2
0.25
0.3
0.3
b
up
0.05
g
0.1
0.15
0.2
0.25
0.3
0.1
0.15
0.2
0.25
0.3
-0.005
g
g
-0.05
-0.01
-0.015
-0.1
-0.02
-0.15
-0.025
-0.03
-0.2
ll
lu
0.5
0.4
0.8
0.6
0.3
0.4
0.2
0.2
0.1
0.05
0.1
0.15
0.2
0.25
0.3
0.05
60 / 78
Stress-strain curve
t
/m
0.0012
0.001
0.0008
0.0006
0.0004
0.0002 A
C
0.05
0.1
0.15
0.2
0.25
0.3
61 / 78
Bending
y
m s
j
uy (x, 0) = r cos(x/r ) r
Assumption: h a
K.C. Le (Mechanik - Materialtheorie)
62 / 78
63 / 78
Energy density
64 / 78
aZ h
1
1
[ (ux,x + uy ,y )2 + (ux,x + sin 2)2
2
2
0
0
1
1
+ (uy ,y sin 2)2 + (ux,y + uy ,x cos 2)2
2
2
1
+ k ln
] dxdy
| cos +,y sin |
1 ,x
bs
I =
65 / 78
aZ h
E1 =
[(cos
0
1
x
0
1 + 0 sin 2)2 + k|,y
sin |
r
2
1
0
+ k(,y
sin )2 ] dxdy
2
where is given by
=
1
,
1
66 / 78
Energy minimization
In the equilibrium state the true plastic distortion minimizes the total
energy
67 / 78
Smooth minimizer
The plastic distortion
(
1 (x, y )
0 (x, y ) =
0 (x)
where
1 (x, y ) = 1p (1 cosh y + tanh l(x) sinh y )
r
2
x
2
1p =
(cos 1), =
cos
sin 2
r
k
Transcendental equation to determine l(x)
x
1)
r
1
1
+ 1p (1
)] sin 2) sin 2(h l(x)) = 0.
2
cosh l(x)
k sin + [(cos
68 / 78
Energetic threshold
Size effect: the threshold value depends on a and h
rcr =
a
arccos(1
k
2h cos )
Thus, if the radius of the bending jig r > rcr , then l(x) = 0 and = 0
everywhere yielding the purely elastic deformation without dislocations.
For r < rcr the dislocations are nucleated and pile-up against the lower
boundary y = 0 with x > x forming there the boundary layer.
69 / 78
Material parameter
Material
Zinc
(GPa)
43
0.25
b (
A)
2.68
s (m2 )
145.4
k
0.000156
70 / 78
l
0.08
0.06
0.04
0.02
10
Function l(x).
71 / 78
0
3.0
2.5
2.0
1.5
1.0
0.5
10
Function 0 (x).
72 / 78
Polygonization
73 / 78
After annealing
In the final polygonized relaxed state the dislocations form low angle tilt
boundaries between polygons which are perpendicular to the slip direction,
while inside the polygons there are no dislocations. We want to show that
this rearrangement of dislocations correspond to a sequence of piecewise
y ) reducing energy of the beam. Here and below check is
constant (x,
used to denote the polygonized relaxed state after annealing. The jump of
means the dislocations concentrated at the surface, therefore we ascribe
to each jump point the normalized Read-Shockley surface energy density
= |[[]]|
ln e ,
([[]])
|[[]]|
i ) = (x
i + 0) (x
i 0) denoting the jump of (x),
with [[]](x
b
= 4(1) , and the saturated misorientation angle.
74 / 78
0
3.0
2.5
2.0
1.5
1.0
0.5
10
75 / 78
Number of polygons
The number of polygons can be estimated from above by requiring that the
increase of the surface energy is less than the reduction of the bulk energy
in gradient terms. For the material parameters of zinc, the estimated
average polygon distance (taken as the length of the beam divided by the
number of polygons) is equal to around 2.7 107 m which is in excellent
agreement with the experimental result obtained by Gilman in 1955.
100
lnN
80
60
40
20
0
r 10
Bad Herrenalb workshop 2012
76 / 78
Conclusions
CDT enables ones to model dislocation pile-up and size effects
There exists a threshold value for the dislocation nucleation
depending on the grain size
Work hardening and Bauschinger effect can properly be described
Deformation twins exhibit another type of non-convexity
Existence of distinct thresholds for the onset of deformation twinning
The stress-strain response exhibits a sharp load drop (followed by a
stress plateau) upon the onset of twinning
Polygonization occurs due to the smallness of the Read-Shockley
surface energy as compared with the bulk energy of distributed
dislocations
The rearrangement of dislocations is realized by the dislocation climb
with the subsequent dislocation glide.
High-temperature dislocation climb during annealing is crucial for the
kinetics of polygonization
K.C. Le (Mechanik - Materialtheorie)
77 / 78
Further works
Indentation
Bending and torsion
Particle strengthening
Multiple slip
CDT for polycrystals
Hall-Petch relation
Plastic zone near the crack tip and ductile fracture
Finite twinning shear and finite rotation
Parameter identification and applications to TWIP-alloys
3-D model
Dislocation climb taking into account the interaction with vacancies
Kinetics of polygonization
Formation of dislocation cell structure
K.C. Le (Mechanik - Materialtheorie)
78 / 78